American Mineralogist Crystal Structure Database

2 matching records for this search.

Bottinoite
Download hom/bottinoite.pdf
Bonazzi P, Mazzi F
Download am/vol81/AM81_1494.pdf
American Mineralogist 81 (1996) 1494-1500
Bottinoite, Ni(H2O)6[Sb(OH)6]2: Crystal structure, twinning and hydrogen-bond
model
Sample: BS2, synthetic
Note: U(1,2) for Sb1 and Sb3 changed to match symmetry constraints.
_database_code_amcsd 0001841
16.060 16.060 9.792 90 90 120 P3
atom     x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sb1      0      0      0   .017   .017   .003  .0085      0      0
Sb2    2/3    1/3 -.0883   .010   .010   .006   .005      0      0
Sb3    1/3    2/3 -.0021   .005   .005   .042  .0025      0      0
Sb4      0      0  .4974   .014   .014   .002   .007      0      0
Sb5    2/3    1/3  .4185   .010   .010   .018   .005      0      0
Sb6    1/3    2/3  .4987   .008   .008   .018   .004      0      0
Sb7  .3283 -.0066  .4704   .008   .009   .018   .003   .001   .003
Sb8  .6678  .0055  .4496   .014   .014   .002   .008  -.001      0
Ni1  .3379  .0080 -.0311   .010   .005   .031   .004   .000  -.003
Ni2  .6639 -.0065 -.0505   .013   .020   .001   .009  -.001  -.004
O1    .032   .117  -.120   .028   .005   .058   .010  -.007   .005
O2    .114   .081   .112   .021   .046   .001   .003  -.004   .004
O3    .579   .221  -.200   .018   .012   .042  -.005  -.015  -.013
O4    .697   .254   .027   .015   .023   .006   .011  -.008  -.002
O5    .302   .554   .119   .017   .019   .007   .010  -.004  -.002
O6    .364   .783  -.109   .025   .011   .022   .017  -.001  -.001
O7    .315   .097  -.159   .043   .021   .030   .028  -.009   .000
O8    .426   .116   .093   .027   .029   .004   .018  -.002  -.005
O9    .454   .036  -.147   .012   .011   .050   .006   .009  -.014
O10   .363  -.085   .088   .020   .020   .015   .009  -.005   .003
O11   .253  -.107  -.156   .031   .007   .015   .014  -.011  -.008
O12   .215  -.028   .091   .031   .039   .021   .027  -.024  -.016
O13   .582   .027   .070   .022   .057   .006   .021   .011   .008
O14   .693   .111  -.160   .013   .013   .015   .006   .003   .014
O15   .781   .081   .070   .026   .027   .012   .005   .000   .018
O16   .754  -.032  -.178   .015   .054   .048   .026   .009   .034
O17   .633  -.126   .067   .013   .040   .007   .000   .003   .003
O18   .553  -.091  -.172   .003   .027   .045  -.004  -.009  -.009
O19   .064   .112   .366   .029   .010   .031   .009   .002   .006
O20   .115   .042   .611   .018   .018   .019   .005   .007   .007
O21   .550   .269   .535   .005   .007   .004   .001   .000   .004
O22   .623   .220   .302   .025   .030   .013   .024  -.009  -.012
O23   .263   .550   .615   .022   .006   .007   .008   .005   .001
O24   .395   .778   .377   .017   .014   .022  -.004  -.002   .006
O25   .260   .039   .344   .031   .033   .018   .030  -.011  -.002
O26   .378   .113   .578   .012   .016   .006   .010   .001  -.002
O27   .447   .060   .347   .005   .029   .017   .009   .006  -.003
O28   .400  -.050   .585   .007   .020   .009   .006  -.005   .005
O29   .281  -.123   .346   .020   .006   .017   .011   .000  -.003
O30   .211  -.074   .581   .012   .009   .017   .002   .005   .007
O31   .618   .074   .567   .003   .016   .007  -.005  -.004   .005
O32   .732   .116   .326   .018   .029   .018   .013  -.005  -.004
O33   .779   .055   .562   .031   .014   .004   .009  -.005   .003
O34   .707  -.067   .330   .022   .036   .034   .023  -.013  -.009
O35   .607  -.108   .567   .004   .019   .007   .004   .004  -.002
O36   .551  -.040   .337   .010   .016   .024   .004  -.006   .007
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Bottinoite
Download hom/bottinoite.pdf
Bonazzi P, Mazzi F
Download am/vol81/AM81_1494.pdf
American Mineralogist 81 (1996) 1494-1500
Bottinoite, Ni(H2O)6[Sb(OH)6]2: Crystal structure, twinning and hydrogen-bond
model
Sample: BN1, natural
Locality: Bottino mine, Apuan Alps, Italy
Note: U(1,2) for Sb5 and Sb6 changed to match symmetry constraints.
_database_code_amcsd 0001842
16.045 16.045 9.784 90 90 120 P3
atom     x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sb1      0      0      0   .016   .016   .005   .008      0      0
Sb2    2/3    1/3 -.0888   .008   .008   .002   .004      0      0
Sb3    1/3    2/3  .0002   .004   .004   .065   .002      0      0
Sb4      0      0  .4943   .012   .012   .011   .006      0      0
Sb5    2/3    1/3  .4193   .015   .015   .011  .0075      0      0
Sb6    1/3    2/3  .5037   .003   .003   .019  .0015      0      0
Sb7  .3273 -.0066  .4706   .012   .007   .020   .003   .003   .002
Sb8  .6679  .0052  .4501   .014   .005   .003   .000   .002   .001
Ni1  .3372  .0100 -.0368   .009   .007   .036   .002   .004  -.001
Ni2  .6605 -.0066 -.0524   .020   .036   .002   .016   .006   .002
O1    .033   .118  -.118   .036   .003   .041   .009  -.015  -.006
O2    .114   .084   .109   .040   .037   .006   .019   .008  -.004
O3    .581   .221  -.202   .016   .010   .036  -.007  -.013  -.007
O4    .701   .257   .023   .019   .015   .007   .006   .000   .000
O5    .302   .554   .118   .019   .016   .007   .006   .005   .003
O6    .360   .779  -.111   .025   .012   .021   .017  -.001  -.001
O7    .316   .099  -.158   .106   .029   .032   .054   .039   .015
O8    .425   .114   .099   .046   .024   .007   .024   .000  -.004
O9    .452   .034  -.152   .024   .008   .040   .005   .023   .009
O10   .365  -.085   .083   .015   .015   .033   .001  -.013   .003
O11   .254  -.108  -.160   .008   .004   .054  -.003  -.010  -.002
O12   .216  -.025   .088   .011   .023   .039   .010  -.006  -.013
O13   .580   .023   .068   .022   .057   .009   .021   .011   .008
O14   .697   .110  -.165   .009   .014   .019   .004  -.005   .004
O15   .778   .080   .067   .016   .029   .016   .005   .010   .019
O16   .755  -.026  -.175   .015   .054   .048   .026   .009   .034
O17   .631  -.128   .006   .012   .026   .010   .008  -.002  -.002
O18   .551  -.092  -.169   .018   .036   .012   .008  -.008  -.002
O19   .057   .109   .368   .025   .007   .037   .008   .011   .009
O20   .116   .041   .610   .020   .020   .020   .012   .014  -.002
O21   .550   .264   .537   .007   .007   .006   .000   .001   .004
O22   .620   .221   .299   .023   .027   .009   .018  -.008  -.015
O23   .261   .550   .613   .016   .007   .012   .005   .001  -.006
O24   .393   .779   .379   .016   .024   .044   .018   .001   .008
O25   .260   .038   .343   .026   .020   .018   .018  -.008   .006
O26   .375   .119   .575   .010   .014   .007   .007   .003  -.004
O27   .446   .058   .341   .008   .029   .017   .009   .006  -.003
O28   .399  -.052   .582   .014   .013   .011   .013  -.005  -.007
O29   .280  -.123   .348   .023   .008   .024   .004   .005   .003
O30   .214  -.070   .582   .009   .008   .021   .000   .006   .005
O31   .619   .072   .568   .009   .020   .008   .009  -.001   .008
O32   .736   .117   .326   .026   .031   .019   .011  -.008   .005
O33   .783   .057   .557   .031   .014   .007   .009  -.005   .003
O34   .710  -.062   .323   .018   .013   .007   .028   .001  -.002
O35   .608  -.106   .563   .017   .013   .007   .003   .001   .002
O36   .550  -.042   .333   .013   .016   .015   .003   .001   .001
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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